N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide

C14H9BrF4N2O2 — CID 25239366

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCOc1c(F)c(F)c(C(=O)Nc2ccc(Br)c(C)n2)c(F)c1F
InChIInChI=1S/C14H9BrF4N2O2/c1-5-6(15)3-4-7(20-5)21-14(22)8-9(16)11(18)13(23-2)12(19)10(8)17/h3-4H,1-2H3,(H,20,21,22)
InChIKeyRNTBNYOHSYSLOI-UHFFFAOYSA-N
MW393.13 g/mol
LogP3.97
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide

N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide (PubChem CID 25239366) has the molecular formula C14H9BrF4N2O2 and a molecular weight of 393.13 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
PubChem CID25239366
Molecular FormulaC14H9BrF4N2O2
Molecular Weight393.13 g/mol
Exact Mass391.98
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCOc1c(F)c(F)c(C(=O)Nc2ccc(Br)c(C)n2)c(F)c1F
InChIInChI=1S/C14H9BrF4N2O2/c1-5-6(15)3-4-7(20-5)21-14(22)8-9(16)11(18)13(23-2)12(19)10(8)17/h3-4H,1-2H3,(H,20,21,22)
InChIKeyRNTBNYOHSYSLOI-UHFFFAOYSA-N
XLogP3.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.13
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 79048667
5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103296614
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 79041376
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
CID 17274555
N-(5-bromo-6-methyl-2-pyridinyl)-2-hydroxy-4-methoxybenzamide
CID 79048960
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 79048918
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79048080
N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide
CID 1396763
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
CID 79048971

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide (CID 25239366) is N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide is COc1c(F)c(F)c(C(=O)Nc2ccc(Br)c(C)n2)c(F)c1F.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The InChIKey is RNTBNYOHSYSLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4N2O2/c1-5-6(15)3-4-7(20-5)21-14(22)8-9(16)11(18)13(23-2)12(19)10(8)17/h3-4H,1-2H3,(H,20,21,22).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide has a molecular weight of 393.13 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide is sourced from PubChem (CID 25239366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).